1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

C17H17FN2O2 — CID 108906155

IUPAC1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESCCOc1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-22-16-8-6-15(7-9-16)20-17(21)19-11-10-13-4-3-5-14(18)12-13/h3-12H,2H2,1H3,(H2,19,20,21)/b11-10+
InChIKeyUSPBNSQMMIRDQU-ZHACJKMWSA-N
MW300.33 g/mol
LogP4.02
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (PubChem CID 108906155) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
PubChem CID108906155
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESCCOc1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-22-16-8-6-15(7-9-16)20-17(21)19-11-10-13-4-3-5-14(18)12-13/h3-12H,2H2,1H3,(H2,19,20,21)/b11-10+
InChIKeyUSPBNSQMMIRDQU-ZHACJKMWSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108906070
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108906208
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
CID 108908387
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
ethyl N-[2-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]ethyl]carbamate
CID 108906414
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906166
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9022525
1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
CID 108874314

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (CID 108906155) is 1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is CCOc1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The InChIKey is USPBNSQMMIRDQU-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-22-16-8-6-15(7-9-16)20-17(21)19-11-10-13-4-3-5-14(18)12-13/h3-12H,2H2,1H3,(H2,19,20,21)/b11-10+.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea has a molecular weight of 300.33 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108906155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).